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Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption
Chang, Qiang1,2; Lu, Yang1; Quan, Donghui3
2017-12-10
Source PublicationASTROPHYSICAL JOURNAL
ISSN0004-637X
Volume851Issue:1Pages:13
Corresponding AuthorChang, Qiang()
AbstractAlthough the Gillespie algorithm is accurate in simulating gas-grain reaction networks, so far its computational cost is so expensive that it cannot be used to simulate chemical reaction networks that include molecular hydrogen accretion or the chemical evolution of protoplanetary disks. We present an accelerated Gillespie algorithm that is based on a quasi-steady-state assumption with the further approximation that the population distribution of transient species depends only on the accretion and desorption processes. The new algorithm is tested against a few reaction networks that are simulated by the regular Gillespie algorithm. We found that the less likely it is that transient species are formed and destroyed on grain surfaces, the more accurate the new method is. We also apply the new method to simulate reaction networks that include molecular hydrogen accretion. The results show that surface chemical reactions involving molecular hydrogen are not important for the production of surface species under standard physical conditions of dense molecular clouds.
Keywordastrochemistry ISM: clouds ISM: molecules methods: numerical molecular processes
DOI10.3847/1538-4357/aa99d9
WOS KeywordCHEMISTRY ; CORES ; RECOMBINATION ; MOLECULES ; EVOLUTION
Indexed BySCI
Language英语
WOS Research AreaAstronomy & Astrophysics
WOS SubjectAstronomy & Astrophysics
WOS IDWOS:000417973600003
PublisherIOP PUBLISHING LTD
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://libir.pmo.ac.cn/handle/332002/22140
Collection中国科学院紫金山天文台
Corresponding AuthorChang, Qiang
Affiliation1.Chinese Acad Sci, Xinjiang Astron Observ, 150 Sci 1 St, Urumqi 830011, Peoples R China
2.Chinese Acad Sci, Key Lab Radio Astron, 150 Sci 1 St, Urumqi 830011, Peoples R China
3.Eastern Kentucky Univ, Dept Chem, Richmond, KY 40475 USA
Recommended Citation
GB/T 7714
Chang, Qiang,Lu, Yang,Quan, Donghui. Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption[J]. ASTROPHYSICAL JOURNAL,2017,851(1):13.
APA Chang, Qiang,Lu, Yang,&Quan, Donghui.(2017).Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption.ASTROPHYSICAL JOURNAL,851(1),13.
MLA Chang, Qiang,et al."Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption".ASTROPHYSICAL JOURNAL 851.1(2017):13.
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